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2,2'-Dibromo-5-methyl-1,1'-biphenyl-4-ol 4-methylbenzenesulfonate
SpectraBase Compound ID 88dGt2Gv0ol
InChI InChI=1S/C20H16Br2O3S/c1-13-7-9-15(10-8-13)26(23,24)25-20-12-19(22)17(11-14(20)2)16-5-3-4-6-18(16)21/h3-12H,1-2H3
InChIKey QQJBXTGSCJHJLN-UHFFFAOYSA-N
Mol Weight 496.21 g/mol
Molecular Formula C20H16Br2O3S
Exact Mass 493.918692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWHhK6FaWjj
Name 2,2'-Dibromo-5-methyl-1,1'-biphenyl-4-ol 4-methylbenzenesulfonate
Alternate Name(s) 2,2'-dibromo-5-methyl-[1,1'-biphenyl]-4-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [5-bromo-4-(2-bromophenyl)-2-methylphenyl] ester [5-bromo-4-(2-bromophenyl)-2-methylphenyl] 4-methylbenzenesulfonate [5-bromo-4-(2-bromophenyl)-2-methyl-phenyl] 4-methylbenzenesulfonate [5-bromanyl-4-(2-bromophenyl)-2-methyl-phenyl] 4-methylbenzenesulfonate
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Formula C20H16Br2O3S
InChI InChI=1S/C20H16Br2O3S/c1-13-7-9-15(10-8-13)26(23,24)25-20-12-19(22)17(11-14(20)2)16-5-3-4-6-18(16)21/h3-12H,1-2H3
InChIKey QQJBXTGSCJHJLN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800602v
Molecular Weight 496.213 g/mol
SMILES c1c(Br)c(cc(C)c1OS(=O)(c1ccc(cc1)C)=O)-c1ccccc1Br
SPLASH splash10-0006-9706500000-fe9044715dfed64d6a86
Source of Spectrum A1-10-1999/SMS4-11
Wiley ID 1759435